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Second‐order correlation potential in the Kohn–Sham approximation for atoms
International Journal Of Quantum ChemistryPeer ReviewedBoada R. L. +21991Journals
A new type of correlation functional derived from the second‐order expression for the correlation energy of an atom is proposed. The derived correlation potential contains one free parameter, which is determined by fitting the known pair correlation energy. The calculations with this potential in the Kohn–Sham approximation give rather accurate values for the matrix elements of different operators.
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